WAY-169122

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: WAY-169122
• 英文别名: 1-chloro-6-(4-hydroxyphenyl)-2-naphthol；1-chloro-6-(4-hydroxyphenyl)naphthalen-2-ol
• 化学式: C₁₆H₁₁ClO₂
• 分子量: 270.715
• InChiKey: YHEHVRSGKUYDON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-chloro-2-methoxy-6-(4-methoxyphenyl)naphthalene 在 吡啶盐酸盐 作用下， 反应 2.0h， 以41%的产率得到WAY-169122
  参考文献：
  名称：

  ERβ Ligands. 3. Exploiting Two Binding Orientations of the 2-Phenylnaphthalene Scaffold To Achieve ERβ Selectivity

  摘要：

  The 2-phenylnaphthalene scaffold was explored as a simplified version of genistein in order to identify ER selective ligands. With the aid of docking studies, positions 1, 4, and 8 of the 2-phenylnaphthalene template were predicted to be the most potentially influential positions to enhance ER selectivity using two different binding orientations. Both orientations have the phenol moiety mimicking the A-ring of genistein. Several compounds predicted to adopt orientations similar to that of genistein when bound to ERbeta were observed to have slightly higher ER affinity and selectivity than genistein. The second orientation we exploited, which was different from that of genistein when bound to ERbeta, resulted in the discovery of several compounds that had superior ER selectivity and affinity versus genistein. X-ray structures of two ER selective compounds (i.e., 15 and 47) confirmed the alternate binding mode and suggested that substituents at positions 1 and 8 were responsible for inducing selectivity. One compound (i.e., 47, WAY-202196) was further examined and found to be effective in two models of inflammation, suggesting that targeting ER may be therapeutically useful in treating certain chronic inflammatory diseases.

  DOI：

  10.1021/jm058173s

文献信息

• Substituted phenyl naphthalenes as estrogenic agents
  申请人：Wyeth

  公开号：US20030181519A1

  公开（公告）日：2003-09-25

  This invention provides estrogen receptor modulators of formula I, having the structure 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , and R 10 , are as defined in the specification, or a pharmaceutically acceptable salt thereof.

  这项发明提供了具有结构的式I的雌激素受体调节剂 1 其中 R 1 ，R 2 ，R 3 ，R 4 ，R 5 ，R 6 ，R 7 ，R 8 ，R 9 和R 10 如规范中所定义，或其药用可接受盐。
• PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION
  申请人：CHANG Chien-Neng

  公开号：US20090010884A1

  公开（公告）日：2009-01-08

  The present invention provides compositions and methods for preventing, treating, or inhibiting inflammatory diseases, disorders, or conditions of the skin, and diseases, disorders, or conditions associated with collagen depletion using one or more estrogenic agents.

  本发明提供了使用一个或多个雌激素类药物预防、治疗或抑制皮肤炎症性疾病、紊乱或状况以及与胶原蛋白流失相关的疾病、紊乱或状况的组合物和方法。
• FIRE-RESISTANT COATING MATERIAL
  申请人：Sekisui Chemical Co., Ltd.

  公开号：EP1055714A1

  公开（公告）日：2000-11-29

  The present invention is a fire-resistant paint containing an epoxy resin, a hardener, and an inorganic filler wherein ① for the total of 100 weight parts of the epoxy resin and the hardener, ② 200-500 weight parts of the inorganic filler, chosen from a group consisting of neutralized thermally expandable graphite, metal carbonate, and a hydrated inorganic compound is contained; ③ for the inorganic filler, at least 15-400 weight parts of neutralized thermally expandable graphite is contained; and ④ the viscosity of the fire-resistant paint is 1-1,000 ps as measured by a B-type viscometer. The fire-resistant paint of the present invention has particularly remarkable fire resistance, and can be used in a wide range of applications.

  本发明是一种含有环氧树脂、固化剂和无机填料的防火涂料，其中 环氧树脂和固化剂的总重量为 100 重量份、 200-500 重量份的无机填料，选自中和热膨胀石墨、金属碳酸盐和水合无机化合物； 在无机填料中，至少含有 15-400 重量份的中和热膨胀石墨； ③ 在无机填料中，至少含有 15-400 重量份的中和热膨胀石墨；和 用 B 型粘度计测量，防火涂料的粘度为 1-1 000 ps。 本发明的防火涂料具有特别显著的防火性能，可广泛应用于各种领域。
• Fire-resistant paint and coated material thereof
  申请人：Sekisui Chemical Co., Ltd.

  公开号：EP1449895A2

  公开（公告）日：2004-08-25

  The present invention is a fire-resistant paint containing butyl rubber or isobutylene rubber and an inorganic filler wherein ① Flory's viscosity-average molecular weight of the butyl rubber or isobutylene rubber is 5,000-4,000,000; and ② for 100 weight parts of the butyl rubber or isobutylene rubber, ③ 200-500 weight parts of the inorganic filler, chosen from a group consisting of neutralized thermally expandable graphite, metal carbonate, and a hydrated inorganic compound is contained; ④ for the inorganic filler, at least 15-400 weight parts of neutralized thermally expandable graphite is contained; and ⑤ the viscosity of the fire-resistant paint is 1-1,000 ps as measured by a B-type viscometer. The fire-resistant paint of the present invention has particularly remarkable fire resistance, and can be used in a wide range of applications.

  本发明是一种含有丁基橡胶或异丁烯橡胶和无机填料的防火涂料，其中 丁基橡胶或异丁烯橡胶的 Flory 粘度-平均分子量为 5,000-4,000,000 ；以及 重量份数为 100 的丁基橡胶或异丁烯橡胶、 在 100 重量份的丁基橡胶或异丁烯橡胶中，含有 ③ 200-500 重量份的无机填料，该无机填料选自由中和热膨胀石墨、金属碳酸盐和水合无机化合物组成的组； 对于无机填料，至少含有 15-400 重量份的中和热膨胀石墨； ④ 对于无机填料，至少含有 15-400 重量份的中和热膨胀石墨； ⑤ 对于无机填料，至少含有 15-400 重量份的粘火剂。 用 B 型粘度计测量，防火涂料的粘度为 1-1 000 ps。 本发明的防火涂料具有特别显著的防火性能，可广泛应用于各种领域。
• Novel uses for estrogen beta agonists
  申请人：Day Mark

  公开号：US20060135574A1

  公开（公告）日：2006-06-22

  This invention provides methods for treating cognitive diseases or disorders and symptoms thereof with estrogen beta selective agonists.

  本发明提供了利用雌激素 beta 选择性激动剂治疗认知疾病或紊乱及其症状的方法。